⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL817147 | 0.89 | BTN3A1 (0.31) | — | |
| SCHEMBL9010750 | 0.86 | ALDH1A1 (0.32) | — | |
| SCHEMBL14107876 | 0.82 | BTN3A1 (0.34) | — | |
| SCHEMBL14107937 | 0.82 | BTN3A1 (0.34) | — | |
| SCHEMBL3561644 | 0.80 | THRB (0.32) | — | |
| SCHEMBL4742426 | 0.80 | THRB (0.32) | — | |
| SCHEMBL4742434 | 0.80 | THRB (0.32) | — | |
| SCHEMBL12883275 | 0.80 | THRB (0.32) | — | |
| SCHEMBL2687927 | 0.80 | THRB (0.32) | — | |
| SCHEMBL2703984 | 0.78 | VDR (0.31) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8188064-B2 | Reducing cell differentiation of adipocyte; reducing body fat | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2012-05-29 | — | — | US | disclosed |
| US-7531527-B2 | 2-Propylidene-19-nor-vitamin D compounds | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2009-05-12 | — | — | US | disclosed |
| US-20070213546-A1 | 2-Propylidene-19-nor-vitamin D compounds | WISCONSIN ALUMNI RESEARCH FOUNDATION. (US) | 2007-09-13 | — | — | US | disclosed |
| US-7241747-B2 | 2-propylidene-19-nor-vitamin D compounds | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2007-07-10 | — | — | US | disclosed |